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QR Decomposition
The factorization of a matrix into an orthogonal matrix times an upper triangular matrix -- the numerically stable method statistical software actually uses to solve the ordinary least squares equations, avoiding the extra rounding error of forming X'X directly.
In Plain English
QR decomposition splits a matrix into a perfectly length-and-angle-preserving orthogonal piece and a triangular piece, and this combination turns out to be an especially numerically safe way to fit a regression. Rather than computing X'X and inverting it (a formula that's easy to write down but numerically risky, since squaring a matrix can amplify small rounding errors), most real statistical software actually fits ordinary least squares via QR decomposition instead, arriving at the same coefficients through a more stable computational route.
Definition
The QR decomposition of an matrix (with , full column rank) expresses it as , where is an matrix with orthonormal columns and is an upper triangular matrix. For a regression design matrix , the least squares normal equations simplify, using , to the triangular system , solved directly by back substitution without ever forming ; because squaring a matrix (as in forming ) roughly squares its condition number and correspondingly amplifies floating-point rounding error, the QR-based approach is substantially more numerically stable, and is the actual algorithm used inside most professional-grade statistical software's regression routines.
Formula
Notation
Properties
- Solving ordinary least squares via QR decomposition avoids ever forming , which matters because squaring a matrix roughly squares its condition number, an ill-conditioned (near-multicollinear) design matrix becomes dramatically worse-conditioned once squared, so QR-based fitting is meaningfully more numerically stable exactly in the cases (high multicollinearity) where stability matters most.
- The QR decomposition connects directly to the Gram-Schmidt orthogonalization process, one standard way to compute it is by sequentially orthogonalizing the columns of to build , while records the coefficients used in that orthogonalization -- though numerical software typically uses a more stable variant (Householder reflections) rather than classical Gram-Schmidt directly.
- Because has orthonormal columns, , so no matrix inversion is needed to move across an equation -- this is exactly the property that reduces the least squares normal equations to a directly back-substitutable triangular system once the QR factors are known.
At a Glance